2-[(5-aminopyrazin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one

C14H14N4O — CID 103057379

IUPAC2-[(5-aminopyrazin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one
SMILESNc1cnc(CN2CCc3ccccc3C2=O)cn1
InChIInChI=1S/C14H14N4O/c15-13-8-16-11(7-17-13)9-18-6-5-10-3-1-2-4-12(10)14(18)19/h1-4,7-8H,5-6,9H2,(H2,15,17)
InChIKeyCJWWUXXPIWBUGJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.26
Rot. Bonds2

About 2-[(5-aminopyrazin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one

2-[(5-aminopyrazin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one (PubChem CID 103057379) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(5-aminopyrazin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-[(5-aminopyrazin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one
PubChem CID103057379
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-[(5-aminopyrazin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one
SMILESNc1cnc(CN2CCc3ccccc3C2=O)cn1
InChIInChI=1S/C14H14N4O/c15-13-8-16-11(7-17-13)9-18-6-5-10-3-1-2-4-12(10)14(18)19/h1-4,7-8H,5-6,9H2,(H2,15,17)
InChIKeyCJWWUXXPIWBUGJ-UHFFFAOYSA-N
XLogP1.26
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 104809284
6-[(1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]pyridine-2-carboxylic acid
CID 106903727
2-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one
CID 20772326
2-(1,3,4-oxadiazol-2-ylmethyl)-3,4-dihydroisoquinolin-1-one
CID 166912638
2-[(3,5-dimethylphenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 104501216
2-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 104501218
4-[(6-amino-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 104526015
2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one
CID 70927083
2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydroisoquinolin-1-one
CID 115773462
2-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 112706164
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4-dihydroisoquinolin-1-one
CID 104501306
2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 115873461

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminopyrazin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-[(5-aminopyrazin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one (CID 103057379) is 2-[(5-aminopyrazin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-[(5-aminopyrazin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-[(5-aminopyrazin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one is Nc1cnc(CN2CCc3ccccc3C2=O)cn1.
What is the InChIKey of 2-[(5-aminopyrazin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one?
The InChIKey is CJWWUXXPIWBUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-13-8-16-11(7-17-13)9-18-6-5-10-3-1-2-4-12(10)14(18)19/h1-4,7-8H,5-6,9H2,(H2,15,17).
What are the key properties of 2-[(5-aminopyrazin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one?
2-[(5-aminopyrazin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 254.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminopyrazin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 103057379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).